In an era of medical care that is increasingly aiming at more targeted medication therapies, more individual therapies and ...

With advances in computational power, improved algorithms and reduced costs, molecular dynamics simulations have become potent tools to investigate protein dynamics. “[Such] simulations allow ...

The new algorithm developed by Glorius's team searches for optimal molecular representations based on the principles of evolution, using mechanisms such as reproduction, mutation and selection.

Their clustering method, SpeakEasy2: Champagne, was tested alongside other algorithms to analyze its ... that it's an effective way to organize molecular information. "We tested to determine ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

It seeks to explain biological function in terms of molecular structure, dynamics and organization, from single molecules to supramolecular structures. An integrated structural biology approach ...